SCHEMBL28409201

SCHEMBL28409201

Cn1cnc2c1c(=O)n(CCCC1CC(C(=O)O)C1)c(=O)n2C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.60
▸ TNF P01375 4/20 0.60
▸ USP2 O75604 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ ACHE P22303 1/20 0.60
▸ PDE4A P27815 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ PDE4B Q07343 1/20 0.60
▸ PDE4C Q08493 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ GLA P06280 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ CHIT1 Q13231 1/20 0.52
▸ CHIA Q9BZP6 1/20 0.52
▸ HTR2A P28223 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17682291 0.87 ADORA2B (0.62) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL9392791 0.81 ADORA2B (0.58) ADORA2BTNFUSP2LMNACYP1A2
Bisdionin C SCHEMBL10018600 0.79 CHIT1 (0.75) ADORA2BTNFUSP2LMNACYP1A2
Bisdionin D SCHEMBL16120988 0.79 ADORA2B (0.79) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8071917 0.79 ADORA2B (0.60) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL11301985 0.79 ADORA2B (0.79) ADORA2BTNFUSP2LMNACYP1A2
1-[4-Carboxypropyl]-3,7-Dimethylxanthine SCHEMBL5420399 0.78 ADORA2B (0.74) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL17682292 0.78 ADORA2B (0.62) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL16120981 0.78 ADORA2B (0.77) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL5412111 0.77 ADORA2B (0.81) ADORA2BTNFUSP2LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233863-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2022-10-25 — — CN disclosed
CN-108348525-B Medical application of hydroxyl purine compound 广东众生睿创生物科技有限公司 2021-09-10 — — CN disclosed
CN-111233863-A Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-06-05 — — CN disclosed
CN-105566324-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-04-03 — — CN disclosed
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